USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.153 F(o=-1.1,f=-0.15) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 9 SER OG : rot 180:sc= 0.453! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.936 F(o=-4.1!,f=-0.94) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.33 F(o=-5.8!,f=-3.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.77! C(o=-3.8!,f=-14!) USER MOD Single : B 24 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.31) USER MOD Single : B 25 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : B 26 HIS : no HE2:sc= -9.07! C(o=-9.1!,f=-9.5!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= -1.02 USER MOD Single : B 47 TYR OH : rot 180:sc= -1.13 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -21:sc= 0.706 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.147 4.420 2.385 1.00 0.00 N ATOM 2 CA GLY A 1 -8.479 3.541 1.325 1.00 0.00 C ATOM 3 C GLY A 1 -7.046 3.755 0.987 1.00 0.00 C ATOM 4 O GLY A 1 -6.451 4.746 1.361 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.141 4.136 2.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.652 4.306 3.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.102 5.416 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.587 2.505 1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.051 3.650 0.404 1.00 0.00 H new ATOM 10 N ILE A 2 -6.452 2.837 0.275 1.00 0.00 N ATOM 11 CA ILE A 2 -5.017 2.994 -0.092 1.00 0.00 C ATOM 12 C ILE A 2 -4.879 4.047 -1.191 1.00 0.00 C ATOM 13 O ILE A 2 -3.928 4.803 -1.229 1.00 0.00 O ATOM 14 CB ILE A 2 -4.469 1.651 -0.588 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.970 1.797 -0.890 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.211 1.220 -1.859 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.299 0.423 -1.093 1.00 0.00 C ATOM 0 H ILE A 2 -6.898 1.986 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.451 3.315 0.782 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.617 0.894 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.835 2.405 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.482 2.324 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.816 0.265 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.274 1.115 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.071 1.973 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.239 0.563 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.412 -0.174 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.771 -0.092 -1.930 1.00 0.00 H new ATOM 29 N VAL A 3 -5.821 4.098 -2.086 1.00 0.00 N ATOM 30 CA VAL A 3 -5.761 5.089 -3.189 1.00 0.00 C ATOM 31 C VAL A 3 -5.642 6.497 -2.619 1.00 0.00 C ATOM 32 O VAL A 3 -4.957 7.343 -3.155 1.00 0.00 O ATOM 33 CB VAL A 3 -7.053 4.991 -3.992 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.888 5.750 -5.299 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.361 3.524 -4.282 1.00 0.00 C ATOM 0 H VAL A 3 -6.639 3.488 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.896 4.884 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.875 5.424 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.809 5.683 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.668 6.796 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.068 5.316 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.285 3.453 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.543 3.087 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.475 2.984 -3.342 1.00 0.00 H new ATOM 45 N GLU A 4 -6.327 6.758 -1.550 1.00 0.00 N ATOM 46 CA GLU A 4 -6.282 8.123 -0.956 1.00 0.00 C ATOM 47 C GLU A 4 -4.974 8.333 -0.188 1.00 0.00 C ATOM 48 O GLU A 4 -4.567 9.449 0.062 1.00 0.00 O ATOM 49 CB GLU A 4 -7.471 8.297 -0.008 1.00 0.00 C ATOM 50 CG GLU A 4 -8.722 7.680 -0.641 1.00 0.00 C ATOM 51 CD GLU A 4 -9.968 8.174 0.097 1.00 0.00 C ATOM 52 OE1 GLU A 4 -10.728 8.919 -0.499 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.140 7.798 1.244 1.00 0.00 O ATOM 0 H GLU A 4 -6.918 6.088 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.334 8.861 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.260 7.819 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.637 9.355 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.780 7.951 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.667 6.592 -0.594 1.00 0.00 H new ATOM 60 N GLN A 5 -4.315 7.279 0.202 1.00 0.00 N ATOM 61 CA GLN A 5 -3.040 7.436 0.967 1.00 0.00 C ATOM 62 C GLN A 5 -1.840 7.463 0.013 1.00 0.00 C ATOM 63 O GLN A 5 -0.846 8.109 0.277 1.00 0.00 O ATOM 64 CB GLN A 5 -2.890 6.262 1.936 1.00 0.00 C ATOM 65 CG GLN A 5 -1.785 6.567 2.954 1.00 0.00 C ATOM 66 CD GLN A 5 -2.316 7.524 4.011 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.505 7.329 4.480 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -1.641 8.452 4.411 1.00 0.00 N flip ATOM 0 H GLN A 5 -4.600 6.316 0.026 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.071 8.376 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.833 6.082 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.649 5.353 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.444 5.644 3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.924 7.006 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.704 8.600 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.012 9.083 5.121 1.00 0.00 H new ATOM 77 N CYS A 6 -1.905 6.744 -1.079 1.00 0.00 N ATOM 78 CA CYS A 6 -0.756 6.704 -2.025 1.00 0.00 C ATOM 79 C CYS A 6 -0.947 7.694 -3.179 1.00 0.00 C ATOM 80 O CYS A 6 0.011 8.195 -3.729 1.00 0.00 O ATOM 81 CB CYS A 6 -0.661 5.292 -2.585 1.00 0.00 C ATOM 82 SG CYS A 6 -0.874 4.102 -1.241 1.00 0.00 S ATOM 0 H CYS A 6 -2.710 6.181 -1.355 1.00 0.00 H new ATOM 0 HA CYS A 6 0.155 6.982 -1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.425 5.138 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.305 5.144 -3.068 1.00 0.00 H new ATOM 87 N CYS A 7 -2.163 7.975 -3.567 1.00 0.00 N ATOM 88 CA CYS A 7 -2.379 8.930 -4.703 1.00 0.00 C ATOM 89 C CYS A 7 -2.566 10.341 -4.156 1.00 0.00 C ATOM 90 O CYS A 7 -1.770 11.223 -4.410 1.00 0.00 O ATOM 91 CB CYS A 7 -3.621 8.511 -5.497 1.00 0.00 C ATOM 92 SG CYS A 7 -3.641 9.334 -7.119 1.00 0.00 S ATOM 0 H CYS A 7 -3.012 7.590 -3.153 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.510 8.913 -5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.628 7.429 -5.630 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.521 8.769 -4.940 1.00 0.00 H new ATOM 97 N THR A 8 -3.598 10.566 -3.397 1.00 0.00 N ATOM 98 CA THR A 8 -3.810 11.914 -2.833 1.00 0.00 C ATOM 99 C THR A 8 -2.609 12.250 -1.954 1.00 0.00 C ATOM 100 O THR A 8 -2.483 13.340 -1.433 1.00 0.00 O ATOM 101 CB THR A 8 -5.093 11.905 -1.998 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.079 11.124 -2.658 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.601 13.328 -1.832 1.00 0.00 C ATOM 0 H THR A 8 -4.301 9.872 -3.145 1.00 0.00 H new ATOM 0 HA THR A 8 -3.909 12.659 -3.622 1.00 0.00 H new ATOM 0 HB THR A 8 -4.886 11.478 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.901 11.115 -2.124 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.515 13.321 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.844 13.928 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.809 13.757 -2.812 1.00 0.00 H new ATOM 111 N SER A 9 -1.726 11.305 -1.792 1.00 0.00 N ATOM 112 CA SER A 9 -0.524 11.535 -0.954 1.00 0.00 C ATOM 113 C SER A 9 0.535 10.499 -1.300 1.00 0.00 C ATOM 114 O SER A 9 0.635 10.047 -2.420 1.00 0.00 O ATOM 115 CB SER A 9 -0.895 11.385 0.515 1.00 0.00 C ATOM 116 OG SER A 9 0.248 11.640 1.321 1.00 0.00 O ATOM 0 H SER A 9 -1.789 10.376 -2.209 1.00 0.00 H new ATOM 0 HA SER A 9 -0.140 12.538 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.696 12.078 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.271 10.380 0.705 1.00 0.00 H new ATOM 0 HG SER A 9 0.009 11.545 2.267 1.00 0.00 H new ATOM 122 N ILE A 10 1.333 10.134 -0.337 1.00 0.00 N ATOM 123 CA ILE A 10 2.414 9.137 -0.560 1.00 0.00 C ATOM 124 C ILE A 10 2.298 8.030 0.491 1.00 0.00 C ATOM 125 O ILE A 10 1.989 8.287 1.638 1.00 0.00 O ATOM 126 CB ILE A 10 3.734 9.871 -0.404 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.848 10.916 -1.506 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.904 8.893 -0.515 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.995 11.871 -1.186 1.00 0.00 C ATOM 0 H ILE A 10 1.279 10.493 0.616 1.00 0.00 H new ATOM 0 HA ILE A 10 2.344 8.684 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 10 3.766 10.347 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.023 10.430 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.913 11.470 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.843 9.435 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.823 8.139 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.881 8.408 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.077 12.619 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.801 12.367 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.927 11.310 -1.120 1.00 0.00 H new ATOM 141 N CYS A 11 2.529 6.798 0.106 1.00 0.00 N ATOM 142 CA CYS A 11 2.417 5.660 1.078 1.00 0.00 C ATOM 143 C CYS A 11 3.800 5.096 1.400 1.00 0.00 C ATOM 144 O CYS A 11 4.765 5.341 0.703 1.00 0.00 O ATOM 145 CB CYS A 11 1.574 4.547 0.455 1.00 0.00 C ATOM 146 SG CYS A 11 -0.158 5.059 0.385 1.00 0.00 S ATOM 0 H CYS A 11 2.791 6.529 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 11 1.953 6.027 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.937 4.321 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.670 3.634 1.042 1.00 0.00 H new ATOM 151 N SER A 12 3.886 4.319 2.451 1.00 0.00 N ATOM 152 CA SER A 12 5.183 3.692 2.848 1.00 0.00 C ATOM 153 C SER A 12 5.054 2.177 2.696 1.00 0.00 C ATOM 154 O SER A 12 3.996 1.613 2.893 1.00 0.00 O ATOM 155 CB SER A 12 5.494 4.036 4.305 1.00 0.00 C ATOM 156 OG SER A 12 5.771 5.426 4.410 1.00 0.00 O ATOM 0 H SER A 12 3.100 4.090 3.059 1.00 0.00 H new ATOM 0 HA SER A 12 5.989 4.065 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.649 3.773 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.348 3.456 4.653 1.00 0.00 H new ATOM 0 HG SER A 12 5.969 5.650 5.343 1.00 0.00 H new ATOM 162 N LEU A 13 6.119 1.519 2.332 1.00 0.00 N ATOM 163 CA LEU A 13 6.076 0.044 2.146 1.00 0.00 C ATOM 164 C LEU A 13 5.290 -0.613 3.285 1.00 0.00 C ATOM 165 O LEU A 13 4.615 -1.600 3.091 1.00 0.00 O ATOM 166 CB LEU A 13 7.528 -0.479 2.134 1.00 0.00 C ATOM 167 CG LEU A 13 7.688 -1.645 1.146 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.415 -1.172 -0.300 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.118 -2.187 1.264 1.00 0.00 C ATOM 0 H LEU A 13 7.028 1.947 2.154 1.00 0.00 H new ATOM 0 HA LEU A 13 5.578 -0.200 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.207 0.329 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.808 -0.806 3.135 1.00 0.00 H new ATOM 0 HG LEU A 13 6.970 -2.429 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.533 -2.011 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.398 -0.786 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.121 -0.385 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.251 -3.016 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.828 -1.395 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.292 -2.535 2.282 1.00 0.00 H new ATOM 181 N TYR A 14 5.367 -0.083 4.469 1.00 0.00 N ATOM 182 CA TYR A 14 4.614 -0.713 5.589 1.00 0.00 C ATOM 183 C TYR A 14 3.114 -0.601 5.297 1.00 0.00 C ATOM 184 O TYR A 14 2.337 -1.471 5.636 1.00 0.00 O ATOM 185 CB TYR A 14 4.994 -0.023 6.924 1.00 0.00 C ATOM 186 CG TYR A 14 3.840 0.788 7.480 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.873 2.178 7.427 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.747 0.136 8.052 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.813 2.928 7.951 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.683 0.877 8.574 1.00 0.00 C ATOM 191 CZ TYR A 14 1.716 2.275 8.526 1.00 0.00 C ATOM 192 OH TYR A 14 0.669 3.009 9.044 1.00 0.00 O ATOM 0 H TYR A 14 5.909 0.746 4.711 1.00 0.00 H new ATOM 0 HA TYR A 14 4.870 -1.769 5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.294 -0.777 7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.854 0.628 6.766 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.719 2.680 6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.723 -0.943 8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.842 4.007 7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.836 0.371 9.014 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.010 2.401 9.403 1.00 0.00 H new ATOM 202 N GLN A 15 2.704 0.463 4.666 1.00 0.00 N ATOM 203 CA GLN A 15 1.266 0.624 4.352 1.00 0.00 C ATOM 204 C GLN A 15 0.948 -0.224 3.125 1.00 0.00 C ATOM 205 O GLN A 15 -0.146 -0.715 2.963 1.00 0.00 O ATOM 206 CB GLN A 15 0.961 2.090 4.044 1.00 0.00 C ATOM 207 CG GLN A 15 1.522 2.982 5.148 1.00 0.00 C ATOM 208 CD GLN A 15 1.324 4.443 4.758 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.740 4.720 3.627 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 1.702 5.340 5.486 1.00 0.00 N flip ATOM 0 H GLN A 15 3.306 1.226 4.356 1.00 0.00 H new ATOM 0 HA GLN A 15 0.662 0.309 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.397 2.367 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.116 2.236 3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.019 2.773 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.581 2.773 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.159 5.120 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.562 6.312 5.212 1.00 0.00 H new ATOM 219 N LEU A 16 1.908 -0.392 2.257 1.00 0.00 N ATOM 220 CA LEU A 16 1.689 -1.202 1.036 1.00 0.00 C ATOM 221 C LEU A 16 1.688 -2.685 1.414 1.00 0.00 C ATOM 222 O LEU A 16 0.794 -3.428 1.058 1.00 0.00 O ATOM 223 CB LEU A 16 2.837 -0.898 0.055 1.00 0.00 C ATOM 224 CG LEU A 16 2.380 -1.011 -1.409 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.206 -0.052 -1.692 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.565 -0.682 -2.342 1.00 0.00 C ATOM 0 H LEU A 16 2.844 0.004 2.347 1.00 0.00 H new ATOM 0 HA LEU A 16 0.733 -0.961 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.218 0.106 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.661 -1.589 0.233 1.00 0.00 H new ATOM 0 HG LEU A 16 2.040 -2.030 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.900 -0.149 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.367 -0.302 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.520 0.974 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.243 -0.761 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.912 0.333 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.378 -1.385 -2.159 1.00 0.00 H new ATOM 238 N GLU A 17 2.678 -3.114 2.142 1.00 0.00 N ATOM 239 CA GLU A 17 2.729 -4.544 2.554 1.00 0.00 C ATOM 240 C GLU A 17 1.500 -4.834 3.408 1.00 0.00 C ATOM 241 O GLU A 17 1.062 -5.959 3.546 1.00 0.00 O ATOM 242 CB GLU A 17 3.989 -4.792 3.393 1.00 0.00 C ATOM 243 CG GLU A 17 5.241 -4.428 2.581 1.00 0.00 C ATOM 244 CD GLU A 17 6.401 -4.097 3.527 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.196 -3.301 4.428 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.473 -4.645 3.331 1.00 0.00 O ATOM 0 H GLU A 17 3.454 -2.538 2.470 1.00 0.00 H new ATOM 0 HA GLU A 17 2.749 -5.188 1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.951 -4.197 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.034 -5.838 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.517 -5.258 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.031 -3.574 1.937 1.00 0.00 H new ATOM 253 N ASN A 18 0.958 -3.806 3.988 1.00 0.00 N ATOM 254 CA ASN A 18 -0.238 -3.955 4.861 1.00 0.00 C ATOM 255 C ASN A 18 -1.442 -4.442 4.028 1.00 0.00 C ATOM 256 O ASN A 18 -2.261 -5.200 4.508 1.00 0.00 O ATOM 257 CB ASN A 18 -0.523 -2.578 5.501 1.00 0.00 C ATOM 258 CG ASN A 18 -0.072 -2.544 6.954 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.510 -1.474 7.406 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 -0.249 -3.498 7.685 1.00 0.00 N flip ATOM 0 H ASN A 18 1.298 -2.849 3.893 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.061 -4.695 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.008 -1.799 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.590 -2.361 5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.706 -4.337 7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.060 -3.460 8.656 1.00 0.00 H new ATOM 267 N TYR A 19 -1.558 -4.029 2.788 1.00 0.00 N ATOM 268 CA TYR A 19 -2.714 -4.498 1.958 1.00 0.00 C ATOM 269 C TYR A 19 -2.371 -5.851 1.341 1.00 0.00 C ATOM 270 O TYR A 19 -3.190 -6.474 0.694 1.00 0.00 O ATOM 271 CB TYR A 19 -3.002 -3.487 0.846 1.00 0.00 C ATOM 272 CG TYR A 19 -3.414 -2.173 1.467 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.720 -1.991 1.940 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.482 -1.141 1.575 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.088 -0.772 2.525 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.848 0.078 2.157 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.150 0.263 2.634 1.00 0.00 C ATOM 278 OH TYR A 19 -4.511 1.465 3.208 1.00 0.00 O ATOM 0 H TYR A 19 -0.911 -3.395 2.319 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.598 -4.593 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.117 -3.348 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.793 -3.859 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.442 -2.789 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.476 -1.283 1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.094 -0.630 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.125 0.876 2.238 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.742 2.073 3.206 1.00 0.00 H new ATOM 288 N CYS A 20 -1.164 -6.313 1.541 1.00 0.00 N ATOM 289 CA CYS A 20 -0.752 -7.630 0.975 1.00 0.00 C ATOM 290 C CYS A 20 -0.821 -8.698 2.063 1.00 0.00 C ATOM 291 O CYS A 20 -0.567 -8.437 3.223 1.00 0.00 O ATOM 292 CB CYS A 20 0.673 -7.530 0.442 1.00 0.00 C ATOM 293 SG CYS A 20 1.289 -9.185 0.066 1.00 0.00 S ATOM 0 H CYS A 20 -0.442 -5.830 2.076 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.424 -7.903 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.695 -6.909 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.316 -7.049 1.179 1.00 0.00 H new ATOM 298 N ASN A 21 -1.167 -9.899 1.698 1.00 0.00 N ATOM 299 CA ASN A 21 -1.257 -10.986 2.705 1.00 0.00 C ATOM 300 C ASN A 21 0.151 -11.488 3.039 1.00 0.00 C ATOM 301 O ASN A 21 1.041 -11.278 2.231 1.00 0.00 O ATOM 302 CB ASN A 21 -2.094 -12.127 2.126 1.00 0.00 C ATOM 303 CG ASN A 21 -1.743 -12.318 0.653 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.756 -11.792 0.181 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.512 -13.056 -0.099 1.00 0.00 N ATOM 306 OXT ASN A 21 0.314 -12.073 4.098 1.00 0.00 O ATOM 0 H ASN A 21 -1.392 -10.174 0.742 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.727 -10.615 3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.905 -13.048 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.156 -11.904 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.284 -13.191 -1.084 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.341 -13.498 0.298 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 11.756 2.100 0.459 1.00 0.00 N ATOM 315 CA PHE B 22 10.991 2.436 -0.775 1.00 0.00 C ATOM 316 C PHE B 22 10.932 3.958 -0.929 1.00 0.00 C ATOM 317 O PHE B 22 10.847 4.687 0.040 1.00 0.00 O ATOM 318 CB PHE B 22 9.569 1.858 -0.662 1.00 0.00 C ATOM 319 CG PHE B 22 9.005 1.571 -2.040 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.079 2.449 -2.620 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.406 0.422 -2.732 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.557 2.177 -3.891 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.884 0.151 -4.003 1.00 0.00 C ATOM 324 CZ PHE B 22 7.960 1.028 -4.582 1.00 0.00 C ATOM 0 HA PHE B 22 11.481 2.007 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE B 22 9.588 0.942 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.924 2.562 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE B 22 7.768 3.335 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.118 -0.256 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE B 22 6.844 2.854 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.195 -0.735 -4.536 1.00 0.00 H new ATOM 0 HZ PHE B 22 7.558 0.818 -5.562 1.00 0.00 H new ATOM 336 N VAL B 23 10.981 4.445 -2.137 1.00 0.00 N ATOM 337 CA VAL B 23 10.933 5.918 -2.346 1.00 0.00 C ATOM 338 C VAL B 23 9.576 6.460 -1.899 1.00 0.00 C ATOM 339 O VAL B 23 8.595 5.744 -1.845 1.00 0.00 O ATOM 340 CB VAL B 23 11.134 6.233 -3.830 1.00 0.00 C ATOM 341 CG1 VAL B 23 9.922 5.739 -4.629 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.278 7.746 -4.010 1.00 0.00 C ATOM 0 H VAL B 23 11.052 3.887 -2.988 1.00 0.00 H new ATOM 0 HA VAL B 23 11.724 6.386 -1.760 1.00 0.00 H new ATOM 0 HB VAL B 23 12.033 5.733 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.067 5.964 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL B 23 9.815 4.662 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.022 6.239 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.421 7.975 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.377 8.243 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.138 8.100 -3.442 1.00 0.00 H new ATOM 352 N ASN B 24 9.513 7.729 -1.597 1.00 0.00 N ATOM 353 CA ASN B 24 8.222 8.352 -1.170 1.00 0.00 C ATOM 354 C ASN B 24 7.645 9.118 -2.367 1.00 0.00 C ATOM 355 O ASN B 24 7.974 10.266 -2.595 1.00 0.00 O ATOM 356 CB ASN B 24 8.468 9.319 0.017 1.00 0.00 C ATOM 357 CG ASN B 24 9.970 9.559 0.206 1.00 0.00 C ATOM 358 OD1 ASN B 24 10.503 10.546 -0.261 1.00 0.00 O ATOM 359 ND2 ASN B 24 10.679 8.690 0.875 1.00 0.00 N ATOM 0 H ASN B 24 10.307 8.368 -1.628 1.00 0.00 H new ATOM 0 HA ASN B 24 7.520 7.584 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN B 24 7.962 10.267 -0.166 1.00 0.00 H new ATOM 0 HB3 ASN B 24 8.042 8.901 0.929 1.00 0.00 H new ATOM 0 HD21 ASN B 24 11.679 8.840 1.005 1.00 0.00 H new ATOM 0 HD22 ASN B 24 10.232 7.861 1.267 1.00 0.00 H new ATOM 366 N GLN B 25 6.797 8.485 -3.137 1.00 0.00 N ATOM 367 CA GLN B 25 6.202 9.163 -4.333 1.00 0.00 C ATOM 368 C GLN B 25 4.702 8.871 -4.409 1.00 0.00 C ATOM 369 O GLN B 25 4.247 7.797 -4.069 1.00 0.00 O ATOM 370 CB GLN B 25 6.892 8.636 -5.598 1.00 0.00 C ATOM 371 CG GLN B 25 6.429 9.427 -6.828 1.00 0.00 C ATOM 372 CD GLN B 25 6.734 8.625 -8.083 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.000 8.672 -9.050 1.00 0.00 O ATOM 374 NE2 GLN B 25 7.798 7.883 -8.104 1.00 0.00 N ATOM 0 H GLN B 25 6.489 7.524 -2.990 1.00 0.00 H new ATOM 0 HA GLN B 25 6.348 10.240 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN B 25 7.974 8.718 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN B 25 6.664 7.578 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.360 9.630 -6.763 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.935 10.392 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.411 7.847 -7.289 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.022 7.336 -8.935 1.00 0.00 H new ATOM 383 N HIS B 26 3.931 9.829 -4.857 1.00 0.00 N ATOM 384 CA HIS B 26 2.465 9.620 -4.961 1.00 0.00 C ATOM 385 C HIS B 26 2.162 8.662 -6.115 1.00 0.00 C ATOM 386 O HIS B 26 2.316 9.004 -7.271 1.00 0.00 O ATOM 387 CB HIS B 26 1.774 10.957 -5.253 1.00 0.00 C ATOM 388 CG HIS B 26 2.167 11.997 -4.238 1.00 0.00 C ATOM 389 ND1 HIS B 26 1.229 12.629 -3.432 1.00 0.00 N ATOM 390 CD2 HIS B 26 3.380 12.550 -3.903 1.00 0.00 C ATOM 391 CE1 HIS B 26 1.885 13.516 -2.663 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.195 13.506 -2.912 1.00 0.00 N ATOM 0 H HIS B 26 4.260 10.748 -5.155 1.00 0.00 H new ATOM 0 HA HIS B 26 2.101 9.204 -4.021 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.042 11.299 -6.253 1.00 0.00 H new ATOM 0 HB3 HIS B 26 0.692 10.822 -5.242 1.00 0.00 H new ATOM 0 HD1 HIS B 26 0.224 12.452 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS B 26 4.330 12.283 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS B 26 1.410 14.157 -1.935 1.00 0.00 H new ATOM 401 N LEU B 27 1.723 7.469 -5.818 1.00 0.00 N ATOM 402 CA LEU B 27 1.400 6.495 -6.895 1.00 0.00 C ATOM 403 C LEU B 27 -0.080 6.610 -7.254 1.00 0.00 C ATOM 404 O LEU B 27 -0.908 6.940 -6.430 1.00 0.00 O ATOM 405 CB LEU B 27 1.670 5.078 -6.399 1.00 0.00 C ATOM 406 CG LEU B 27 3.058 4.991 -5.745 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.140 3.727 -4.893 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.131 4.936 -6.830 1.00 0.00 C ATOM 0 H LEU B 27 1.574 7.127 -4.869 1.00 0.00 H new ATOM 0 HA LEU B 27 2.017 6.708 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.904 4.786 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.609 4.377 -7.232 1.00 0.00 H new ATOM 0 HG LEU B 27 3.217 5.868 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.124 3.664 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.375 3.760 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU B 27 2.980 2.852 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.115 4.874 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.970 4.059 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.075 5.835 -7.443 1.00 0.00 H new ATOM 420 N CYS B 28 -0.415 6.316 -8.475 1.00 0.00 N ATOM 421 CA CYS B 28 -1.836 6.384 -8.910 1.00 0.00 C ATOM 422 C CYS B 28 -2.021 5.453 -10.107 1.00 0.00 C ATOM 423 O CYS B 28 -1.100 4.779 -10.523 1.00 0.00 O ATOM 424 CB CYS B 28 -2.184 7.815 -9.319 1.00 0.00 C ATOM 425 SG CYS B 28 -1.835 8.947 -7.950 1.00 0.00 S ATOM 0 H CYS B 28 0.242 6.028 -9.200 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.490 6.081 -8.092 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.606 8.103 -10.197 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -3.236 7.878 -9.596 1.00 0.00 H new ATOM 430 N GLY B 29 -3.197 5.402 -10.667 1.00 0.00 N ATOM 431 CA GLY B 29 -3.413 4.503 -11.835 1.00 0.00 C ATOM 432 C GLY B 29 -2.898 3.106 -11.495 1.00 0.00 C ATOM 433 O GLY B 29 -3.008 2.649 -10.375 1.00 0.00 O ATOM 0 H GLY B 29 -4.012 5.939 -10.370 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -4.473 4.462 -12.086 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.893 4.892 -12.710 1.00 0.00 H new ATOM 437 N SER B 30 -2.339 2.424 -12.451 1.00 0.00 N ATOM 438 CA SER B 30 -1.818 1.056 -12.177 1.00 0.00 C ATOM 439 C SER B 30 -0.479 1.147 -11.435 1.00 0.00 C ATOM 440 O SER B 30 -0.047 0.198 -10.814 1.00 0.00 O ATOM 441 CB SER B 30 -1.633 0.300 -13.493 1.00 0.00 C ATOM 442 OG SER B 30 -2.713 0.607 -14.365 1.00 0.00 O ATOM 0 H SER B 30 -2.219 2.752 -13.409 1.00 0.00 H new ATOM 0 HA SER B 30 -2.533 0.519 -11.554 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.686 0.578 -13.956 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.594 -0.773 -13.307 1.00 0.00 H new ATOM 0 HG SER B 30 -2.598 0.126 -15.211 1.00 0.00 H new ATOM 448 N ASP B 31 0.179 2.279 -11.485 1.00 0.00 N ATOM 449 CA ASP B 31 1.485 2.415 -10.765 1.00 0.00 C ATOM 450 C ASP B 31 1.321 1.874 -9.346 1.00 0.00 C ATOM 451 O ASP B 31 1.991 0.949 -8.932 1.00 0.00 O ATOM 452 CB ASP B 31 1.887 3.892 -10.691 1.00 0.00 C ATOM 453 CG ASP B 31 1.808 4.517 -12.085 1.00 0.00 C ATOM 454 OD1 ASP B 31 2.842 4.919 -12.592 1.00 0.00 O ATOM 455 OD2 ASP B 31 0.714 4.583 -12.622 1.00 0.00 O ATOM 0 H ASP B 31 -0.128 3.110 -11.990 1.00 0.00 H new ATOM 0 HA ASP B 31 2.255 1.858 -11.298 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.228 4.424 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.899 3.984 -10.297 1.00 0.00 H new ATOM 460 N LEU B 32 0.409 2.441 -8.612 1.00 0.00 N ATOM 461 CA LEU B 32 0.150 1.975 -7.224 1.00 0.00 C ATOM 462 C LEU B 32 0.006 0.452 -7.232 1.00 0.00 C ATOM 463 O LEU B 32 0.709 -0.252 -6.535 1.00 0.00 O ATOM 464 CB LEU B 32 -1.150 2.628 -6.752 1.00 0.00 C ATOM 465 CG LEU B 32 -1.626 2.021 -5.433 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.529 2.142 -4.372 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.866 2.784 -4.978 1.00 0.00 C ATOM 0 H LEU B 32 -0.176 3.218 -8.919 1.00 0.00 H new ATOM 0 HA LEU B 32 0.967 2.246 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.997 3.700 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.921 2.502 -7.513 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.859 0.965 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.879 1.706 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.362 1.612 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.289 3.194 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.224 2.368 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.615 3.835 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.646 2.695 -5.734 1.00 0.00 H new ATOM 479 N VAL B 33 -0.896 -0.061 -8.023 1.00 0.00 N ATOM 480 CA VAL B 33 -1.077 -1.537 -8.082 1.00 0.00 C ATOM 481 C VAL B 33 0.266 -2.189 -8.340 1.00 0.00 C ATOM 482 O VAL B 33 0.725 -3.020 -7.582 1.00 0.00 O ATOM 483 CB VAL B 33 -2.008 -1.902 -9.242 1.00 0.00 C ATOM 484 CG1 VAL B 33 -1.871 -3.402 -9.573 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.445 -1.587 -8.848 1.00 0.00 C ATOM 0 H VAL B 33 -1.514 0.478 -8.630 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.502 -1.880 -7.139 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.736 -1.322 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.536 -3.655 -10.399 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.841 -3.619 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.139 -3.994 -8.698 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.113 -1.845 -9.670 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.716 -2.167 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.537 -0.524 -8.626 1.00 0.00 H new ATOM 495 N GLU B 34 0.875 -1.832 -9.437 1.00 0.00 N ATOM 496 CA GLU B 34 2.174 -2.426 -9.811 1.00 0.00 C ATOM 497 C GLU B 34 3.043 -2.537 -8.561 1.00 0.00 C ATOM 498 O GLU B 34 3.685 -3.539 -8.328 1.00 0.00 O ATOM 499 CB GLU B 34 2.838 -1.526 -10.860 1.00 0.00 C ATOM 500 CG GLU B 34 2.447 -1.974 -12.274 1.00 0.00 C ATOM 501 CD GLU B 34 3.189 -1.120 -13.304 1.00 0.00 C ATOM 502 OE1 GLU B 34 2.560 -0.253 -13.889 1.00 0.00 O ATOM 503 OE2 GLU B 34 4.373 -1.347 -13.490 1.00 0.00 O ATOM 0 H GLU B 34 0.515 -1.142 -10.096 1.00 0.00 H new ATOM 0 HA GLU B 34 2.041 -3.422 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.536 -0.490 -10.703 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.921 -1.563 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.693 -3.027 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.370 -1.877 -12.413 1.00 0.00 H new ATOM 510 N ALA B 35 3.031 -1.528 -7.737 1.00 0.00 N ATOM 511 CA ALA B 35 3.822 -1.602 -6.488 1.00 0.00 C ATOM 512 C ALA B 35 3.359 -2.835 -5.722 1.00 0.00 C ATOM 513 O ALA B 35 4.112 -3.749 -5.504 1.00 0.00 O ATOM 514 CB ALA B 35 3.589 -0.337 -5.660 1.00 0.00 C ATOM 0 H ALA B 35 2.510 -0.662 -7.876 1.00 0.00 H new ATOM 0 HA ALA B 35 4.888 -1.675 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.172 -0.392 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.899 0.536 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.530 -0.253 -5.414 1.00 0.00 H new ATOM 520 N LEU B 36 2.112 -2.896 -5.348 1.00 0.00 N ATOM 521 CA LEU B 36 1.622 -4.106 -4.636 1.00 0.00 C ATOM 522 C LEU B 36 2.028 -5.333 -5.442 1.00 0.00 C ATOM 523 O LEU B 36 2.593 -6.275 -4.924 1.00 0.00 O ATOM 524 CB LEU B 36 0.098 -4.057 -4.530 1.00 0.00 C ATOM 525 CG LEU B 36 -0.325 -2.966 -3.532 1.00 0.00 C ATOM 526 CD1 LEU B 36 -1.748 -2.516 -3.846 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.293 -3.520 -2.108 1.00 0.00 C ATOM 0 H LEU B 36 1.416 -2.166 -5.503 1.00 0.00 H new ATOM 0 HA LEU B 36 2.050 -4.149 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.337 -3.854 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.284 -5.025 -4.206 1.00 0.00 H new ATOM 0 HG LEU B 36 0.364 -2.126 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.049 -1.743 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.788 -2.117 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.425 -3.366 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.594 -2.741 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.980 -4.363 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.717 -3.852 -1.869 1.00 0.00 H new ATOM 539 N TYR B 37 1.766 -5.315 -6.718 1.00 0.00 N ATOM 540 CA TYR B 37 2.160 -6.464 -7.566 1.00 0.00 C ATOM 541 C TYR B 37 3.662 -6.693 -7.367 1.00 0.00 C ATOM 542 O TYR B 37 4.171 -7.779 -7.546 1.00 0.00 O ATOM 543 CB TYR B 37 1.849 -6.134 -9.032 1.00 0.00 C ATOM 544 CG TYR B 37 1.793 -7.408 -9.843 1.00 0.00 C ATOM 545 CD1 TYR B 37 0.557 -7.979 -10.167 1.00 0.00 C ATOM 546 CD2 TYR B 37 2.979 -8.019 -10.268 1.00 0.00 C ATOM 547 CE1 TYR B 37 0.505 -9.161 -10.916 1.00 0.00 C ATOM 548 CE2 TYR B 37 2.928 -9.200 -11.018 1.00 0.00 C ATOM 549 CZ TYR B 37 1.691 -9.771 -11.341 1.00 0.00 C ATOM 550 OH TYR B 37 1.641 -10.937 -12.078 1.00 0.00 O ATOM 0 H TYR B 37 1.296 -4.553 -7.207 1.00 0.00 H new ATOM 0 HA TYR B 37 1.611 -7.366 -7.295 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.898 -5.606 -9.102 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.613 -5.469 -9.435 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.358 -7.508 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR B 37 3.933 -7.579 -10.017 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.449 -9.601 -11.165 1.00 0.00 H new ATOM 0 HE2 TYR B 37 3.843 -9.671 -11.347 1.00 0.00 H new ATOM 0 HH TYR B 37 2.552 -11.227 -12.293 1.00 0.00 H new ATOM 560 N LEU B 38 4.364 -5.662 -6.973 1.00 0.00 N ATOM 561 CA LEU B 38 5.825 -5.775 -6.722 1.00 0.00 C ATOM 562 C LEU B 38 6.034 -6.278 -5.284 1.00 0.00 C ATOM 563 O LEU B 38 6.680 -7.278 -5.041 1.00 0.00 O ATOM 564 CB LEU B 38 6.435 -4.372 -6.891 1.00 0.00 C ATOM 565 CG LEU B 38 7.905 -4.446 -7.317 1.00 0.00 C ATOM 566 CD1 LEU B 38 8.011 -4.697 -8.823 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.567 -3.106 -6.992 1.00 0.00 C ATOM 0 H LEU B 38 3.976 -4.732 -6.813 1.00 0.00 H new ATOM 0 HA LEU B 38 6.300 -6.471 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.867 -3.815 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.354 -3.824 -5.952 1.00 0.00 H new ATOM 0 HG LEU B 38 8.396 -5.262 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.061 -4.747 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.522 -5.639 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.526 -3.884 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.616 -3.137 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.060 -2.309 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.498 -2.916 -5.921 1.00 0.00 H new ATOM 579 N VAL B 39 5.476 -5.571 -4.337 1.00 0.00 N ATOM 580 CA VAL B 39 5.598 -5.950 -2.902 1.00 0.00 C ATOM 581 C VAL B 39 4.973 -7.324 -2.668 1.00 0.00 C ATOM 582 O VAL B 39 5.616 -8.246 -2.203 1.00 0.00 O ATOM 583 CB VAL B 39 4.837 -4.907 -2.070 1.00 0.00 C ATOM 584 CG1 VAL B 39 5.031 -5.152 -0.579 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.350 -3.517 -2.401 1.00 0.00 C ATOM 0 H VAL B 39 4.928 -4.727 -4.504 1.00 0.00 H new ATOM 0 HA VAL B 39 6.649 -5.986 -2.616 1.00 0.00 H new ATOM 0 HB VAL B 39 3.777 -4.990 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.482 -4.400 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.659 -6.144 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL B 39 6.091 -5.088 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.808 -2.779 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.414 -3.457 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.197 -3.315 -3.461 1.00 0.00 H new ATOM 595 N CYS B 40 3.713 -7.450 -2.959 1.00 0.00 N ATOM 596 CA CYS B 40 3.008 -8.740 -2.732 1.00 0.00 C ATOM 597 C CYS B 40 3.492 -9.805 -3.725 1.00 0.00 C ATOM 598 O CYS B 40 3.505 -10.980 -3.425 1.00 0.00 O ATOM 599 CB CYS B 40 1.500 -8.492 -2.892 1.00 0.00 C ATOM 600 SG CYS B 40 0.558 -9.566 -1.779 1.00 0.00 S ATOM 0 H CYS B 40 3.133 -6.707 -3.349 1.00 0.00 H new ATOM 0 HA CYS B 40 3.221 -9.111 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS B 40 1.273 -7.448 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.203 -8.678 -3.924 1.00 0.00 H new ATOM 605 N GLY B 41 3.895 -9.417 -4.899 1.00 0.00 N ATOM 606 CA GLY B 41 4.374 -10.433 -5.880 1.00 0.00 C ATOM 607 C GLY B 41 3.369 -11.587 -5.967 1.00 0.00 C ATOM 608 O GLY B 41 2.224 -11.402 -6.329 1.00 0.00 O ATOM 0 H GLY B 41 3.915 -8.450 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.500 -9.974 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.350 -10.811 -5.578 1.00 0.00 H new ATOM 612 N GLU B 42 3.795 -12.781 -5.646 1.00 0.00 N ATOM 613 CA GLU B 42 2.874 -13.955 -5.719 1.00 0.00 C ATOM 614 C GLU B 42 2.029 -14.067 -4.445 1.00 0.00 C ATOM 615 O GLU B 42 1.074 -14.817 -4.393 1.00 0.00 O ATOM 616 CB GLU B 42 3.696 -15.232 -5.890 1.00 0.00 C ATOM 617 CG GLU B 42 4.688 -15.056 -7.042 1.00 0.00 C ATOM 618 CD GLU B 42 3.922 -14.838 -8.347 1.00 0.00 C ATOM 619 OE1 GLU B 42 4.485 -14.241 -9.249 1.00 0.00 O ATOM 620 OE2 GLU B 42 2.784 -15.272 -8.422 1.00 0.00 O ATOM 0 H GLU B 42 4.743 -12.994 -5.336 1.00 0.00 H new ATOM 0 HA GLU B 42 2.206 -13.819 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.231 -15.458 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.037 -16.076 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU B 42 5.342 -14.206 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU B 42 5.325 -15.936 -7.125 1.00 0.00 H new ATOM 627 N ARG B 43 2.371 -13.345 -3.415 1.00 0.00 N ATOM 628 CA ARG B 43 1.578 -13.439 -2.152 1.00 0.00 C ATOM 629 C ARG B 43 0.115 -13.081 -2.430 1.00 0.00 C ATOM 630 O ARG B 43 -0.791 -13.594 -1.804 1.00 0.00 O ATOM 631 CB ARG B 43 2.144 -12.479 -1.102 1.00 0.00 C ATOM 632 CG ARG B 43 3.488 -12.983 -0.584 1.00 0.00 C ATOM 633 CD ARG B 43 4.023 -12.003 0.469 1.00 0.00 C ATOM 634 NE ARG B 43 5.498 -12.164 0.585 1.00 0.00 N ATOM 635 CZ ARG B 43 6.219 -11.219 1.122 1.00 0.00 C ATOM 636 NH1 ARG B 43 7.512 -11.364 1.226 1.00 0.00 N ATOM 637 NH2 ARG B 43 5.649 -10.127 1.555 1.00 0.00 N ATOM 0 H ARG B 43 3.159 -12.698 -3.390 1.00 0.00 H new ATOM 0 HA ARG B 43 1.639 -14.460 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG B 43 2.264 -11.486 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG B 43 1.442 -12.382 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG B 43 3.374 -13.976 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG B 43 4.197 -13.074 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.778 -10.979 0.187 1.00 0.00 H new ATOM 0 HD3 ARG B 43 3.548 -12.191 1.432 1.00 0.00 H new ATOM 0 HE ARG B 43 5.946 -13.015 0.244 1.00 0.00 H new ATOM 0 HH11 ARG B 43 7.958 -12.216 0.887 1.00 0.00 H new ATOM 0 HH12 ARG B 43 8.076 -10.625 1.646 1.00 0.00 H new ATOM 0 HH21 ARG B 43 4.639 -10.012 1.474 1.00 0.00 H new ATOM 0 HH22 ARG B 43 6.214 -9.389 1.975 1.00 0.00 H new ATOM 651 N GLY B 44 -0.119 -12.206 -3.366 1.00 0.00 N ATOM 652 CA GLY B 44 -1.524 -11.807 -3.697 1.00 0.00 C ATOM 653 C GLY B 44 -1.962 -10.647 -2.795 1.00 0.00 C ATOM 654 O GLY B 44 -1.875 -10.724 -1.583 1.00 0.00 O ATOM 0 H GLY B 44 0.602 -11.745 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.590 -11.510 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.194 -12.656 -3.563 1.00 0.00 H new ATOM 658 N TYR B 45 -2.433 -9.567 -3.380 1.00 0.00 N ATOM 659 CA TYR B 45 -2.881 -8.389 -2.574 1.00 0.00 C ATOM 660 C TYR B 45 -4.359 -8.128 -2.840 1.00 0.00 C ATOM 661 O TYR B 45 -4.985 -8.797 -3.638 1.00 0.00 O ATOM 662 CB TYR B 45 -2.066 -7.151 -2.969 1.00 0.00 C ATOM 663 CG TYR B 45 -2.226 -6.885 -4.443 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.077 -5.871 -4.892 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.511 -7.654 -5.360 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.212 -5.628 -6.261 1.00 0.00 C ATOM 667 CE2 TYR B 45 -1.644 -7.415 -6.732 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.496 -6.401 -7.184 1.00 0.00 C ATOM 669 OH TYR B 45 -2.629 -6.163 -8.536 1.00 0.00 O ATOM 0 H TYR B 45 -2.526 -9.454 -4.389 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.729 -8.597 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.400 -6.286 -2.396 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.014 -7.305 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.630 -5.276 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -0.853 -8.436 -5.011 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.869 -4.844 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.090 -8.012 -7.441 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.062 -6.787 -9.035 1.00 0.00 H new ATOM 679 N PHE B 46 -4.919 -7.159 -2.164 1.00 0.00 N ATOM 680 CA PHE B 46 -6.365 -6.829 -2.345 1.00 0.00 C ATOM 681 C PHE B 46 -6.491 -5.347 -2.688 1.00 0.00 C ATOM 682 O PHE B 46 -6.161 -4.483 -1.899 1.00 0.00 O ATOM 683 CB PHE B 46 -7.103 -7.155 -1.043 1.00 0.00 C ATOM 684 CG PHE B 46 -8.422 -6.431 -0.960 1.00 0.00 C ATOM 685 CD1 PHE B 46 -8.492 -5.224 -0.275 1.00 0.00 C ATOM 686 CD2 PHE B 46 -9.569 -6.971 -1.554 1.00 0.00 C ATOM 687 CE1 PHE B 46 -9.709 -4.541 -0.174 1.00 0.00 C ATOM 688 CE2 PHE B 46 -10.789 -6.292 -1.458 1.00 0.00 C ATOM 689 CZ PHE B 46 -10.859 -5.076 -0.767 1.00 0.00 C ATOM 0 H PHE B 46 -4.430 -6.575 -1.486 1.00 0.00 H new ATOM 0 HA PHE B 46 -6.803 -7.412 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -7.272 -8.230 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -6.481 -6.879 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -7.604 -4.812 0.181 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -9.512 -7.910 -2.085 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -9.761 -3.604 0.360 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -11.675 -6.705 -1.916 1.00 0.00 H new ATOM 0 HZ PHE B 46 -11.800 -4.551 -0.692 1.00 0.00 H new ATOM 699 N TYR B 47 -6.962 -5.057 -3.869 1.00 0.00 N ATOM 700 CA TYR B 47 -7.118 -3.634 -4.308 1.00 0.00 C ATOM 701 C TYR B 47 -8.530 -3.415 -4.858 1.00 0.00 C ATOM 702 O TYR B 47 -8.857 -3.869 -5.935 1.00 0.00 O ATOM 703 CB TYR B 47 -6.104 -3.338 -5.413 1.00 0.00 C ATOM 704 CG TYR B 47 -6.210 -1.886 -5.801 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.509 -0.919 -5.076 1.00 0.00 C ATOM 706 CD2 TYR B 47 -7.018 -1.506 -6.880 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.614 0.428 -5.426 1.00 0.00 C ATOM 708 CE2 TYR B 47 -7.121 -0.156 -7.233 1.00 0.00 C ATOM 709 CZ TYR B 47 -6.419 0.812 -6.505 1.00 0.00 C ATOM 710 OH TYR B 47 -6.521 2.144 -6.851 1.00 0.00 O ATOM 0 H TYR B 47 -7.250 -5.751 -4.559 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.951 -2.973 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.095 -3.563 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.294 -3.974 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.886 -1.214 -4.245 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.561 -2.254 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.074 1.175 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.741 0.139 -8.066 1.00 0.00 H new ATOM 0 HH TYR B 47 -7.118 2.237 -7.622 1.00 0.00 H new ATOM 720 N THR B 48 -9.359 -2.706 -4.132 1.00 0.00 N ATOM 721 CA THR B 48 -10.755 -2.432 -4.602 1.00 0.00 C ATOM 722 C THR B 48 -11.524 -1.716 -3.491 1.00 0.00 C ATOM 723 O THR B 48 -12.218 -2.326 -2.704 1.00 0.00 O ATOM 724 CB THR B 48 -11.494 -3.733 -4.963 1.00 0.00 C ATOM 725 OG1 THR B 48 -12.881 -3.452 -5.092 1.00 0.00 O ATOM 726 CG2 THR B 48 -11.298 -4.793 -3.873 1.00 0.00 C ATOM 0 H THR B 48 -9.127 -2.301 -3.225 1.00 0.00 H new ATOM 0 HA THR B 48 -10.698 -1.811 -5.496 1.00 0.00 H new ATOM 0 HB THR B 48 -11.091 -4.118 -5.900 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.361 -4.274 -5.324 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.830 -5.703 -4.151 1.00 0.00 H new ATOM 0 HG22 THR B 48 -10.236 -5.012 -3.765 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.689 -4.419 -2.927 1.00 0.00 H new ATOM 734 N LYS B 49 -11.403 -0.421 -3.420 1.00 0.00 N ATOM 735 CA LYS B 49 -12.121 0.347 -2.359 1.00 0.00 C ATOM 736 C LYS B 49 -12.553 1.704 -2.910 1.00 0.00 C ATOM 737 O LYS B 49 -12.270 2.729 -2.323 1.00 0.00 O ATOM 738 CB LYS B 49 -11.189 0.564 -1.167 1.00 0.00 C ATOM 739 CG LYS B 49 -10.984 -0.761 -0.420 1.00 0.00 C ATOM 740 CD LYS B 49 -10.233 -0.512 0.902 1.00 0.00 C ATOM 741 CE LYS B 49 -11.218 -0.116 2.010 1.00 0.00 C ATOM 742 NZ LYS B 49 -10.493 -0.028 3.308 1.00 0.00 N ATOM 0 H LYS B 49 -10.836 0.144 -4.053 1.00 0.00 H new ATOM 0 HA LYS B 49 -13.000 -0.215 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.229 0.951 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.612 1.310 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.949 -1.226 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.420 -1.455 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.690 -1.411 1.194 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.494 0.277 0.765 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -11.682 0.842 1.774 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.020 -0.851 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -11.159 0.240 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.070 -0.951 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.742 0.689 3.239 1.00 0.00 H new ATOM 756 N PRO B 50 -13.243 1.710 -4.026 1.00 0.00 N ATOM 757 CA PRO B 50 -13.742 2.945 -4.675 1.00 0.00 C ATOM 758 C PRO B 50 -14.004 4.078 -3.669 1.00 0.00 C ATOM 759 O PRO B 50 -14.927 4.021 -2.882 1.00 0.00 O ATOM 760 CB PRO B 50 -15.052 2.475 -5.342 1.00 0.00 C ATOM 761 CG PRO B 50 -14.976 0.963 -5.423 1.00 0.00 C ATOM 762 CD PRO B 50 -13.631 0.540 -4.820 1.00 0.00 C ATOM 0 HA PRO B 50 -13.020 3.369 -5.373 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -15.918 2.789 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -15.160 2.912 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -15.802 0.507 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -15.055 0.629 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -13.729 -0.353 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.896 0.314 -5.592 1.00 0.00 H new ATOM 770 N THR B 51 -13.196 5.105 -3.693 1.00 0.00 N ATOM 771 CA THR B 51 -13.396 6.237 -2.742 1.00 0.00 C ATOM 772 C THR B 51 -12.782 7.509 -3.328 1.00 0.00 C ATOM 773 O THR B 51 -13.011 8.568 -2.766 1.00 0.00 O ATOM 774 CB THR B 51 -12.716 5.909 -1.409 1.00 0.00 C ATOM 775 OG1 THR B 51 -12.812 7.031 -0.542 1.00 0.00 O ATOM 776 CG2 THR B 51 -11.243 5.576 -1.654 1.00 0.00 C ATOM 777 OXT THR B 51 -12.095 7.404 -4.331 1.00 0.00 O ATOM 0 H THR B 51 -12.406 5.209 -4.330 1.00 0.00 H new ATOM 0 HA THR B 51 -14.463 6.391 -2.578 1.00 0.00 H new ATOM 0 HB THR B 51 -13.208 5.051 -0.951 1.00 0.00 H new ATOM 0 HG1 THR B 51 -12.968 7.841 -1.071 1.00 0.00 H new ATOM 0 HG21 THR B 51 -10.760 5.343 -0.705 1.00 0.00 H new ATOM 0 HG22 THR B 51 -11.170 4.716 -2.319 1.00 0.00 H new ATOM 0 HG23 THR B 51 -10.748 6.432 -2.112 1.00 0.00 H new TER 785 THR B 51